1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone

C11H13N3O — CID 167750680

IUPAC1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
SMILESCn1ncc2c1CN(C(=O)C13CC1C3)C2
InChIInChI=1S/C11H13N3O/c1-13-9-6-14(5-7(9)4-12-13)10(15)11-2-8(11)3-11/h4,8H,2-3,5-6H2,1H3
InChIKeyIPDUNDZOVZNUOS-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.67
Rot. Bonds1

About 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone

1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (PubChem CID 167750680) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Name1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
PubChem CID167750680
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
SMILESCn1ncc2c1CN(C(=O)C13CC1C3)C2
InChIInChI=1S/C11H13N3O/c1-13-9-6-14(5-7(9)4-12-13)10(15)11-2-8(11)3-11/h4,8H,2-3,5-6H2,1H3
InChIKeyIPDUNDZOVZNUOS-UHFFFAOYSA-N
XLogP0.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone with MolForge

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Related Compounds

1-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 129182181
(4,7-difluoro-1H-indol-2-yl)-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 166320882
1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 146144583
2-chloro-1-(1-methyl-4,5,6,8-tetrahydropyrazolo[5,4-c]azepin-7-yl)ethanone
CID 166431943
N-(1,5-dimethylpyrazol-4-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 167932355
(4-methylphenyl)-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)methanone
CID 95857705
(4-methyl-2-phenyl-1,3-oxazol-5-yl)-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)methanone
CID 122152811
1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
CID 90787566
1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide
CID 167745829
cyclopropyl-[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methanone
CID 131656652
2-(2-fluorophenyl)-1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)ethanone
CID 92566458
1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-amine
CID 145320207

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The IUPAC name of 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (CID 167750680) is 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.
What is the SMILES notation for 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The canonical SMILES for 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is Cn1ncc2c1CN(C(=O)C13CC1C3)C2.
What is the InChIKey of 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
The InChIKey is IPDUNDZOVZNUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-13-9-6-14(5-7(9)4-12-13)10(15)11-2-8(11)3-11/h4,8H,2-3,5-6H2,1H3.
What are the key properties of 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?
1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone has a molecular weight of 203.24 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 167750680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).